N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide

C10H18F2N2O3 — CID 106176802

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H18F2N2O3/c1-2-13-8-4-17-3-7(8)9(16)14-5-10(11,12)6-15/h7-8,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyWZCLFKDRIPGKDY-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.65
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 106176802) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID106176802
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H18F2N2O3/c1-2-13-8-4-17-3-7(8)9(16)14-5-10(11,12)6-15/h7-8,13,15H,2-6H2,1H3,(H,14,16)
InChIKeyWZCLFKDRIPGKDY-UHFFFAOYSA-N
XLogP-0.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide (CID 106176802) is N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is WZCLFKDRIPGKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c1-2-13-8-4-17-3-7(8)9(16)14-5-10(11,12)6-15/h7-8,13,15H,2-6H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 106176802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).